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Table 6 Top-25 ranked novel DTIs predicted on the IC data set by MOKPE

From: MOKPE: drug–target interaction prediction via manifold optimization based kernel preserving embedding

Drug ID

Drug name

Target ID

Target name

Validation source

Data Set: IC (R=10)

 D00349

Isradipine

hsa773

CACNA1A (Calcium Voltage-Gated Channel Subunit Alpha1 A)

None

 D00349

Isradipine

hsa777

CACNA1E (Calcium Voltage-Gated Channel Subunit Alpha1 E)

CTD

 D00638

Flecainide acetate

hsa8645

KCNK5 (Potassium Two Pore Domain Channel Subfamily K Member 5)

None

 D00349

Isradipine

hsa774

CACNA1B (Calcium Voltage-Gated Channel Subunit Alpha1 B)

None

 D03991

Encainide hydrochloride

hsa8645

KCNK5 (Potassium Two Pore Domain Channel Subfamily K Member 5)

None

 D00349

Isradipine

hsa5310

PKD1 (Polycystin 1, Transient Receptor Potential Channel Interacting)

None

 D00438

Nimodipine

hsa773

CACNA1A (Calcium Voltage-Gated Channel Subunit Alpha1 A)

None

 D00619

Verapamil hydrochloride

hsa3739

KCNA4 (Potassium Voltage-Gated Channel Subfamily A Member 4)

None

 D03365

Nicotine

hsa1137

CHRNA4 (Cholinergic Receptor Nicotinic Alpha 4 Subunit)

KEGG & DRUGBANK & DTC & GtP

 D00438

Nimodipine

hsa781

CACNA2D1 (Calcium Voltage-Gated Channel Auxiliary Subunit Alpha2delta 1)

None

 D00349

Isradipine

hsa782

CACNB1 (Calcium Voltage-Gated Channel Auxiliary Subunit Beta 1)

None

 D00438

Nimodipine

hsa779

CACNA1S (Calcium Voltage-Gated Channel Subunit Alpha1 S)

KEGG & DRUGBANK & GtP

 D05024

Mibefradil dihydrochloride

hsa5310

PKD1 (Polycystin 1, Transient Receptor Potential Channel Interacting)

None

 D05024

Mibefradil dihydrochloride

hsa774

CACNA1B (Calcium Voltage-Gated Channel Subunit Alpha1 B)

None

 D00647

Dofetilide

hsa9424

KCNK6 (Potassium Two Pore Domain Channel Subfamily K Member 6)

None

 D00364

Loratadine

hsa3737

KCNA2 (Potassium Voltage-Gated Channel Subfamily A Member 2)

None

 D00615

Amlodipine besylate

hsa774

CACNA1B (Calcium Voltage-Gated Channel Subunit Alpha1 B)

None

 D00640

Propafenone hydrochloride

hsa3743

KCNA7 (Potassium Voltage-Gated Channel Subfamily A Member 7)

None

 D00619

Verapamil hydrochloride

hsa3741

KCNA5 (Potassium Voltage-Gated Channel Subfamily A Member 5)

None

 D00616

Diltiazem hydrochloride

hsa3739

KCNA4 (Potassium Voltage-Gated Channel Subfamily A Member 4)

None

 D01969

Gallopamil hydrochloride

hsa778

CACNA1F (Calcium Voltage-Gated Channel Subunit Alpha1 F)

KEGG

 D00364

Loratadine

hsa3746

KCNC1 (Potassium Voltage-Gated Channel Subfamily C Member 1)

None

 D00619

Verapamil hydrochloride

hsa3746

KCNC1 (Potassium Voltage-Gated Channel Subfamily C Member 1)

None

 D00647

Dofetilide

hsa3756

KCNH1 (Potassium Voltage-Gated Channel Subfamily H Member 1)

GtP

 D00619

Verapamil hydrochloride

hsa3737

KCNA2 (Potassium Voltage-Gated Channel Subfamily A Member 2)

None